1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one

C18H18Cl2O2 — CID 157068093

IUPAC1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one
SMILESCC(=O)c1cccc(Cl)c1.CC(C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClO.C8H7ClO/c1-7(2)10(12)8-4-3-5-9(11)6-8;1-6(10)7-3-2-4-8(9)5-7/h3-7H,1-2H3;2-5H,1H3
InChIKeyACCMVEDPCSHRFJ-UHFFFAOYSA-N
MW337.25 g/mol
LogP5.72
Rot. Bonds3

About 1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one

1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one (PubChem CID 157068093) has the molecular formula C18H18Cl2O2 and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one
PubChem CID157068093
Molecular FormulaC18H18Cl2O2
Molecular Weight337.25 g/mol
Exact Mass336.07
IUPAC Name1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one
SMILESCC(=O)c1cccc(Cl)c1.CC(C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClO.C8H7ClO/c1-7(2)10(12)8-4-3-5-9(11)6-8;1-6(10)7-3-2-4-8(9)5-7/h3-7H,1-2H3;2-5H,1H3
InChIKeyACCMVEDPCSHRFJ-UHFFFAOYSA-N
XLogP5.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570
2-methyl-1-phenylpropan-1-one;1-phenylethanone
CID 162124258
(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)-2-deuteriopropan-1-one
CID 72950433
1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
CID 10705500
CID 87798938
CID 87798938
1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 11747400
(Z)-2-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-sulfanylbut-2-enamide;1-(3-chlorophenyl)-2-methylpropan-1-one
CID 155717382
(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
CID 73416166
(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 102183228
bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);dihydrochloride
CID 69303018
(2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
CID 73416165

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one (CID 157068093) is 1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one is CC(=O)c1cccc(Cl)c1.CC(C)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one?
The InChIKey is ACCMVEDPCSHRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO.C8H7ClO/c1-7(2)10(12)8-4-3-5-9(11)6-8;1-6(10)7-3-2-4-8(9)5-7/h3-7H,1-2H3;2-5H,1H3.
What are the key properties of 1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one?
1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one has a molecular weight of 337.25 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 157068093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).